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{
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{
"id": "oqmd-825112",
"created_at": "2022-09-04T15:22:44.528983Z",
"updated_at": "2022-09-04T15:22:44.529009Z",
"structure_string": "Tc4 O11\n1.0\n-5.362774 -8.423433 -0.081934\n-2.717102 4.228724 0.292887\n2.042218 -0.166710 -4.477016\nO Tc\n11 4\ndirect\n0.446640 0.566881 0.021297 O\n0.983186 0.535200 0.133059 O\n0.781918 0.964603 0.201915 O\n0.103042 0.173284 0.236758 O\n0.611119 0.294646 0.258404 O\n0.310607 0.062402 0.292143 O\n0.394408 0.756989 0.652284 O\n0.200275 0.986083 0.716558 O\n0.694099 0.982563 0.729272 O\n0.916932 0.764065 0.738909 O\n0.125209 0.424865 0.786311 O\n0.579752 0.943867 0.002764 Tc\n0.274261 0.324756 0.607960 Tc\n0.118648 0.795862 0.952824 Tc\n0.899834 0.101156 0.976990 Tc\n",
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{
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"structure_string": "Tc4 O12\n1.0\n-2.618605 -4.218020 0.001753\n-2.591352 4.203050 -0.201444\n3.161679 0.219427 -9.272354\nO Tc\n12 4\ndirect\n0.721361 0.111136 0.130633 O\n0.036705 0.770286 0.132852 O\n0.344068 0.399298 0.155493 O\n0.827607 0.814675 0.360756 O\n0.125926 0.400024 0.393026 O\n0.422808 0.049009 0.398334 O\n0.941024 0.524062 0.593712 O\n0.588701 0.897761 0.615540 O\n0.228494 0.170505 0.657304 O\n0.635938 0.655314 0.851940 O\n0.956692 0.312343 0.884220 O\n0.275458 0.942262 0.886086 O\n0.066397 0.150208 0.223672 Tc\n0.845784 0.112467 0.513235 Tc\n0.174898 0.859609 0.519315 Tc\n0.975102 0.664092 0.933877 Tc\n",
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{
"id": "oqmd-825089",
"created_at": "2022-09-04T15:22:44.532793Z",
"updated_at": "2022-09-04T15:22:44.532822Z",
"structure_string": "Pd4 O11\n1.0\n-5.392345 -9.666635 1.008442\n-2.418915 4.705081 0.691760\n2.724085 -0.009932 -4.168844\nO Pd\n11 4\ndirect\n0.512447 0.658051 0.294282 O\n0.847831 0.017599 0.304538 O\n0.723314 0.398681 0.327230 O\n0.023731 0.718008 0.345405 O\n0.228136 0.479138 0.370532 O\n0.372436 0.198655 0.518576 O\n0.657190 0.969588 0.698647 O\n0.991470 0.313465 0.710706 O\n0.833651 0.623862 0.717917 O\n0.174733 0.968885 0.722698 O\n0.332656 0.666015 0.758104 O\n0.926478 0.172483 0.017599 Pd\n0.109402 0.902833 0.049316 Pd\n0.421315 0.907969 0.355959 Pd\n0.575032 0.807715 0.987982 Pd\n",
"nsites": 15,
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{
"id": "oqmd-825265",
"created_at": "2022-09-04T15:22:44.537084Z",
"updated_at": "2022-09-04T15:22:44.537107Z",
"structure_string": "Li6 Ru4 O11\n1.0\n-5.013913 -8.459521 -0.030956\n-2.576816 4.272015 -0.097484\n1.618425 0.031379 -4.746850\nLi O Ru\n6 11 4\ndirect\n0.748590 0.511717 0.022544 Li\n0.839639 0.332013 0.489188 Li\n0.693297 0.697271 0.491588 Li\n0.145636 0.631192 0.501385 Li\n0.309264 0.307604 0.513216 Li\n0.245034 0.499453 0.985811 Li\n0.950383 0.549161 0.218571 O\n0.799463 0.928197 0.239419 O\n0.307261 0.950027 0.244871 O\n0.128795 0.261499 0.247638 O\n0.608982 0.247391 0.269307 O\n0.375437 0.723077 0.733282 O\n0.720011 0.083378 0.736544 O\n0.542135 0.432264 0.748654 O\n0.870527 0.740583 0.751622 O\n0.219239 0.096205 0.783348 O\n0.046223 0.455522 0.791972 O\n0.072213 0.850515 0.000515 Ru\n0.914373 0.138934 0.004500 Ru\n0.514367 0.030338 0.549792 Ru\n0.423264 0.132100 0.959491 Ru\n",
"nsites": 21,
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"elements": [
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"density": 4.996574620927756,
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"formula_full": "Li6 Ru4 O11",
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{
"id": "oqmd-824985",
"created_at": "2022-09-04T15:22:44.550271Z",
"updated_at": "2022-09-04T15:22:44.550296Z",
"structure_string": "Li6 Ge4 O12\n1.0\n-2.422661 -4.347112 -0.030693\n-2.514598 4.400654 -0.061361\n3.176368 -0.001449 -9.362793\nGe Li O\n4 6 12\ndirect\n0.168137 0.840412 0.000125 Ge\n0.940647 0.993853 0.222569 Ge\n0.840771 0.174818 0.502482 Ge\n0.188230 0.877359 0.515817 Ge\n0.657354 0.331644 0.240828 Li\n0.289979 0.639860 0.241037 Li\n0.511699 0.515183 0.504744 Li\n0.403987 0.690225 0.762545 Li\n0.680065 0.311614 0.770711 Li\n0.466592 0.477416 0.996816 Li\n0.239929 0.219381 0.130307 O\n0.552665 0.905234 0.132812 O\n0.921729 0.638292 0.133468 O\n0.056819 0.362356 0.362710 O\n0.797032 0.786930 0.379459 O\n0.425142 0.054990 0.387641 O\n0.932434 0.567254 0.594823 O\n0.219876 0.232488 0.609793 O\n0.572262 0.932305 0.610584 O\n0.779964 0.728616 0.879150 O\n0.401005 0.070425 0.885193 O\n0.115833 0.487230 0.886397 O\n",
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"elements": [
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],
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"density": 4.278610611537738,
"density_atomic": 0.10813849595113792,
"volume": 203.4428147580362,
"volume_molar": 5.568914850379543,
"formula_full": "Li6 Ge4 O12",
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"formula_anonymous": "A2B3C6",
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"spacegroup": 1
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{
"id": "oqmd-825145",
"created_at": "2022-09-04T15:22:44.551798Z",
"updated_at": "2022-09-04T15:22:44.551819Z",
"structure_string": "K4 C2 Se1\n1.0\n5.130015 0.001677 0.000352\n0.246936 5.165595 -0.000328\n0.248323 0.730052 8.111186\nC K Se\n2 4 1\ndirect\n0.171524 0.887402 0.192088 C\n0.994587 0.061513 0.214811 C\n0.662904 0.540314 0.328493 K\n0.119782 0.968761 0.566100 K\n0.615490 0.009873 0.964752 K\n0.129782 0.485051 0.970923 K\n0.640403 0.545424 0.721832 Se\n",
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"formula_full": "K4 C2 Se1",
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{
"id": "oqmd-825020",
"created_at": "2022-09-04T15:22:44.570656Z",
"updated_at": "2022-09-04T15:22:44.570672Z",
"structure_string": "Os4 O12\n1.0\n-2.574762 -4.175550 0.168850\n-2.586831 4.181328 0.005538\n3.814728 0.170579 -9.327957\nO Os\n12 4\ndirect\n0.988331 0.660956 0.105965 O\n0.254471 0.209224 0.126176 O\n0.629107 0.950867 0.133725 O\n0.737197 0.755216 0.358711 O\n0.348493 0.054199 0.391336 O\n0.031823 0.383798 0.400780 O\n0.558674 0.929192 0.609246 O\n0.915241 0.554338 0.614274 O\n0.229909 0.224549 0.658430 O\n0.779816 0.778192 0.848182 O\n0.120233 0.459926 0.890895 O\n0.443142 0.097572 0.904586 O\n0.005622 0.005490 0.225861 Os\n0.121811 0.827595 0.514499 Os\n0.842140 0.137700 0.518571 Os\n0.142011 0.823142 0.948760 Os\n",
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"volume": 198.32591796804925,
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"formula_full": "Os4 O12",
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{
"id": "oqmd-824676",
"created_at": "2022-09-04T15:22:44.571236Z",
"updated_at": "2022-09-04T15:22:44.571263Z",
"structure_string": "Ce1 Sb4 S2\n1.0\n4.018537 -0.000768 -0.001859\n0.003751 4.269230 0.046995\n1.934289 1.407968 12.232391\nCe S Sb\n1 2 4\ndirect\n0.236215 0.662241 0.643889 Ce\n0.768199 0.187943 0.576682 S\n0.657953 0.556429 0.807064 S\n0.033124 0.385890 0.078257 Sb\n0.447304 0.867675 0.256320 Sb\n0.912238 0.323857 0.325222 Sb\n0.577883 0.848919 0.983123 Sb\n",
"nsites": 7,
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"elements": [
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],
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"formula_full": "Ce1 Sb4 S2",
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{
"id": "oqmd-825270",
"created_at": "2022-09-04T15:22:44.611326Z",
"updated_at": "2022-09-04T15:22:44.611352Z",
"structure_string": "Li6 Ti4 O11\n1.0\n-5.083074 -8.619396 -0.036950\n-2.559137 4.324148 0.034164\n1.744263 -0.030295 -4.764230\nLi O Ti\n6 11 4\ndirect\n0.507276 0.024328 0.493299 Li\n0.160116 0.620553 0.497672 Li\n0.827065 0.329948 0.497846 Li\n0.004334 0.011843 0.516555 Li\n0.679549 0.702548 0.519190 Li\n0.319821 0.315756 0.544077 Li\n0.298619 0.952568 0.234577 O\n0.952116 0.575449 0.238042 O\n0.795149 0.916059 0.238848 O\n0.106044 0.211950 0.241156 O\n0.616015 0.285119 0.242559 O\n0.379088 0.739338 0.704790 O\n0.720600 0.119416 0.763757 O\n0.209184 0.044173 0.765591 O\n0.534739 0.388763 0.772552 O\n0.874206 0.763271 0.776412 O\n0.030995 0.420990 0.778948 O\n0.733771 0.509429 0.012229 Ti\n0.099876 0.857960 0.015081 Ti\n0.408147 0.072602 0.949121 Ti\n0.911830 0.177837 0.994340 Ti\n",
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{
"id": "oqmd-825045",
"created_at": "2022-09-04T15:22:44.617788Z",
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"structure_string": "Ru4 O12\n1.0\n-2.418111 -4.437976 0.037736\n-2.630785 4.557690 -0.075394\n3.352857 0.030762 -8.954918\nO Ru\n12 4\ndirect\n0.970082 0.579686 0.117062 O\n0.521235 0.850013 0.117158 O\n0.270692 0.248983 0.165633 O\n0.414875 0.024159 0.369533 O\n0.073341 0.480836 0.385000 O\n0.771042 0.828890 0.386231 O\n0.221853 0.241491 0.612667 O\n0.935740 0.600913 0.613872 O\n0.585499 0.994440 0.627951 O\n0.076560 0.416199 0.847749 O\n0.770926 0.725976 0.898091 O\n0.414156 0.068585 0.906713 O\n0.320524 0.597499 0.229641 Ru\n0.172920 0.874955 0.511730 Ru\n0.848164 0.212978 0.512675 Ru\n0.128625 0.748165 0.948296 Ru\n",
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{
"id": "oqmd-825070",
"created_at": "2022-09-04T15:22:44.671256Z",
"updated_at": "2022-09-04T15:22:44.671280Z",
"structure_string": "V4 O11\n1.0\n-5.277415 -8.748716 0.132069\n-2.535374 4.312473 0.055170\n1.858212 0.026247 -4.238113\nO V\n11 4\ndirect\n0.786370 0.941075 0.206692 O\n0.580182 0.145079 0.220685 O\n0.012295 0.572695 0.231794 O\n0.314306 0.065140 0.269590 O\n0.098335 0.169860 0.297431 O\n0.409367 0.729024 0.576805 O\n0.899796 0.780221 0.753305 O\n0.730619 0.101346 0.754068 O\n0.188975 0.058129 0.764757 O\n0.056824 0.441144 0.814809 O\n0.474786 0.472654 0.931297 O\n0.308690 0.326124 0.564287 V\n0.589661 0.897841 0.959427 V\n0.080912 0.824794 0.969479 V\n0.895931 0.125981 0.996023 V\n",
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"formula_full": "V4 O11",
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"spacegroup": 1
},
{
"id": "oqmd-825065",
"created_at": "2022-09-04T15:22:44.677060Z",
"updated_at": "2022-09-04T15:22:44.677079Z",
"structure_string": "Cr4 O11\n1.0\n-5.208461 -7.757339 0.472124\n-2.609271 3.870770 0.041047\n2.017856 0.106768 -4.460038\nCr O\n4 11\ndirect\n0.072707 0.710386 0.023813 Cr\n0.630289 0.851621 0.051865 Cr\n0.521591 0.028907 0.512837 Cr\n0.368812 0.184220 0.908281 Cr\n0.298149 0.983942 0.179595 O\n0.474817 0.631052 0.202185 O\n0.018364 0.523821 0.245695 O\n0.607383 0.208458 0.258499 O\n0.798856 0.877261 0.273782 O\n0.378729 0.821860 0.683066 O\n0.191868 0.134898 0.688439 O\n0.017658 0.416821 0.704352 O\n0.521535 0.410039 0.752222 O\n0.694991 0.056853 0.783122 O\n0.959948 0.897106 0.929698 O\n",
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"elements": [
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"density": 3.6278444168566772,
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"volume": 175.75454301305862,
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"formula_full": "Cr4 O11",
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"spacegroup": 1
}
]
}